SCHEMBL22124726

SCHEMBL22124726

Cc1cc(Nc2nccn3c(-c4ccc(F)c(F)c4)cnc23)ccc1C(=O)NCCOCCN

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 16/20 0.48
▸ MAPKAPK5 Q8IW41 1/20 0.45
▸ PTK6 Q13882 1/20 0.41
▸ BRAF P15056 2/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL30171803 0.99 TTK (0.47) TTKMAPKAPK5PTK6BRAF
SCHEMBL22124765 0.93 TTK (0.48) TTKMAPKAPK5PTK6BRAF
SCHEMBL22124789 0.93 TTK (0.46) TTKMAPKAPK5PTK6BRAF
Hydrochloric Acid SCHEMBL30171966 0.93 TTK (0.47) TTKMAPKAPK5PTK6BRAF
SCHEMBL22124907 0.93 TTK (0.46) TTKMAPKAPK5PTK6BRAF
Hydrochloric Acid SCHEMBL30171739 0.92 TTK (0.46) TTKMAPKAPK5PTK6BRAF
Hydrochloric Acid SCHEMBL30171711 0.92 TTK (0.45) TTKMAPKAPK5PTK6BRAF
SCHEMBL22124666 0.92 TTK (0.46) TTKMAPKAPK5PTK6BRAF
SCHEMBL22124581 0.91 TTK (0.45) TTKMAPKAPK5PTK6BRAF
SCHEMBL22123263 0.90 TTK (0.43) TTKMAPKAPK5PTK6BRAF

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3898630-B1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2023-05-10 — — EP claimed
EP-3898630-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2021-10-27 — — EP claimed
WO-2020126954-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 — — WO claimed
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